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The stationary points (SPs) of a potential energy landscape play a crucial role in understanding many of the physical or chemical properties of a given system. Unless they are found analytically, there is, however, no efficient method to…

Statistical Mechanics · Physics 2011-12-19 Dhagash Mehta

We report on the new functionality of the open-source Mathematica package FeynCalc relevant for multiloop calculations. In particular, we focus on such tasks as topology identification by means of the Pak algorithm, search for equivalent…

High Energy Physics - Phenomenology · Physics 2021-12-30 Vladyslav Shtabovenko

We consider the numerical solution of large scale time-harmonic Maxwell equations. To this day, this problem remains difficult, in particular because the equations are neither Hermitian nor semi-definite. Our approach is to compare…

Numerical Analysis · Mathematics 2025-07-18 Elise Fressart , Sébastien Dubois , Loïc Gouarin , Marc Massot , Michel Nowak , Nicole Spillane

By using the squared slack variables technique, we demonstrate that the solution set of a general polynomial complementarity problem is the image, under a specific projection, of the set of real zeroes of a system of polynomials. This paper…

Optimization and Control · Mathematics 2025-07-01 Vu Trung Hieu , Alfredo Noel Iusem , Paul Hugo Schmölling , Akiko Takeda

This paper summarizes the essential functionality of the computer algebra package HarmonicSums. On the one hand HarmonicSums can work with nested sums such as harmonic sums and their generalizations and on the other hand it can treat…

Symbolic Computation · Computer Science 2014-07-24 Jakob Ablinger

In this paper we present an efficient computational and symbolic algorithms for solving a backward pentadiagonal linear systems. The implementation of the algorithms using Computer Algebra Systems (CAS) such as MAPLE, MACSYMA, MATHEMATICA,…

Symbolic Computation · Computer Science 2008-03-18 A. A. Karawia

Numerical discretization of the large-scale Maxwell's equations leads to an ill-conditioned linear system that is challenging to solve. The key requirement for successive solutions of this linear system is to choose an efficient solver. In…

Numerical Analysis · Mathematics 2023-01-31 Sahar Borzooei , Victorita Dolean , Pierre-Henri Tournier , Claire Migliaccio

In the past two decades, some major efforts have been made to reduce exact (e.g. integer, rational, polynomial) linear algebra problems to matrix multiplication in order to provide algorithms with optimal asymptotic complexity. To provide…

Symbolic Computation · Computer Science 2009-01-14 Jean-Guillaume Dumas , Pascal Giorgi , Clément Pernet

In this contribution, we derive a consistent variational formulation for computational homogenization methods and show that traditional FE2 and IGA2 approaches are special discretization and solution techniques of this most general…

Computational Engineering, Finance, and Science · Computer Science 2023-12-21 Christian Hesch , Felix Schmidt , Stefan Schuß

We survey some general-purpose symbolic software packages that implement algorithms from enumerative and analytic combinatorics. Software for the following areas is covered: basic combinatorial objects, symbolic combinatorics, P\'olya…

Mathematical Software · Computer Science 2016-01-13 Andrew MacFie

Full-physics modeling of multiphase flow in porous media, e.g., for carbon storage and groundwater management, requires the nonlinear coupling of various physical processes. Industry standard nonlinear solvers, typically of Newton-type, are…

Numerical Analysis · Mathematics 2026-03-12 Peter von Schultzendorff , Jakub Wiktor Both , Jan Martin Nordbotten , Tor Harald Sandve

We study the two-dimensional hierarchical rectangle packing problem, motivated by applications in analog integrated circuit layout, facility layout, and logistics. Unlike classical strip or bin packing, the dimensions of the container are…

Computational Geometry · Computer Science 2025-12-24 Josef Grus , Zdeněk Hanzálek , Christian Artigues , Cyrille Briand , Emmanuel Hebrard

In this paper, an analytic approximation method for highly nonlinear equations, namely the homotopy analysis method (HAM), is employed to solve some backward stochastic differential equations (BSDEs) and forward-backward stochastic…

Numerical Analysis · Mathematics 2018-01-25 Xiaoxu Zhong , Shijun Liao

HEALPix -- the Hierarchical Equal Area isoLatitude Pixelization -- has become a standard in high-energy and gravitational wave astronomy. Originally developed to improve the efficiency of all-sky Fourier analyses, it is now also utilized to…

Instrumentation and Methods for Astrophysics · Physics 2022-05-18 I. Martinez-Castellanos , Leo P. Singer , E. Burns , D. Tak , Alyson Joens , Judith L. Racusin , Jeremy S. Perkins

The multivariate resultant is a fundamental tool of computational algebraic geometry. It can in particular be used to decide whether a system of n homogeneous equations in n variables is satisfiable (the resultant is a polynomial in the…

Computational Complexity · Computer Science 2013-02-12 Bruno Grenet , Pascal Koiran , Natacha Portier

High dimensional sampling is an important computational tool in statistics and other computational disciplines, with applications ranging from Bayesian statistical uncertainty quantification, metabolic modeling in systems biology to volume…

Computation · Statistics 2024-12-10 Benny Sun , Yuansi Chen

pocoMC is a Python package for accelerated Bayesian inference in astronomy and cosmology. The code is designed to sample efficiently from posterior distributions with non-trivial geometry, including strong multimodality and non-linearity.…

Instrumentation and Methods for Astrophysics · Physics 2022-07-13 Minas Karamanis , David Nabergoj , Florian Beutler , John A. Peacock , Uros Seljak

Among the efficient numerical methods based on atomistic models, the quasicontinuum (QC) method has attracted growing interest in recent years. The QC method was first developed for crystalline materials with Bravais lattice and was later…

Numerical Analysis · Mathematics 2012-09-11 Assyr Abdulle , Ping Lin , Alexander V. Shapeev

The purpose of this note is to survey a methodology to solve systems of polynomial equations and inequalities. The techniques we discuss use the algebra of multivariate polynomials with coefficients over a field to create large-scale linear…

Optimization and Control · Mathematics 2011-12-08 Jesus A. De Loera , Peter N. Malkin , Pablo A. Parrilo

We prove a complexity dichotomy for complex-weighted Holant problems with an arbitrary set of symmetric constraint functions on Boolean variables. This dichotomy is specifically to answer the question: Is the FKT algorithm under a…

Computational Complexity · Computer Science 2015-05-13 Jin-Yi Cai , Zhiguo Fu , Heng Guo , Tyson Williams